SCHEMBL13536740

SCHEMBL13536740

COC(=O)C(Cc1cccc(C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
CTSK P43235 3/20 0.61
CTSL P07711 3/20 0.61
CTSS P25774 3/20 0.61
ALDH1A1 P00352 2/20 0.60
ALOX15 P16050 1/20 0.60
TACR1 P25103 3/20 0.56
KYNU Q16719 1/20 0.56
CTSB P07858 2/20 0.55
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13536744 0.91 CTSK (0.62) POLBCTSKCTSLCTSSALDH1A1
SCHEMBL13536741 0.89 ALDH1A1 (0.61) CTSKCTSLCTSSALDH1A1ALOX15
SCHEMBL14623159 0.89 ALDH1A1 (0.61) CTSKCTSLCTSSALDH1A1ALOX15
SCHEMBL32676944 0.88 POLB (0.54) POLBCTSKCTSLCTSSALDH1A1
SCHEMBL32677210 0.88 POLB (0.56) POLBCTSKCTSLCTSSALDH1A1
SCHEMBL32677253 0.88 POLB (0.56) POLBCTSKCTSLCTSSALDH1A1
SCHEMBL7151822 0.88 ALDH1A1 (0.74) CTSKCTSLCTSSALDH1A1ALOX15
SCHEMBL329686 0.88 ALDH1A1 (0.74) CTSKCTSLCTSSALDH1A1ALOX15
SCHEMBL13536737 0.87 ATM (0.67) CTSKCTSLCTSSALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7928050 0.87 ALDH1A1 (0.72) CTSKCTSLCTSSALDH1A1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 POLB 446/4885CTSK 298/4885CTSL 179/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.